N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride

C17H29Cl2N5O — CID 119550223

IUPACN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCN1CCN(c2ccccn2)CC1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H27N5O.2ClH/c1-20(15-5-8-18-14-15)17(23)6-9-21-10-12-22(13-11-21)16-4-2-3-7-19-16;;/h2-4,7,15,18H,5-6,8-14H2,1H3;2*1H
InChIKeyNGKFAJMVSZHESK-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.26
Rot. Bonds5

About N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride

N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride (PubChem CID 119550223) has the molecular formula C17H29Cl2N5O and a molecular weight of 390.36 g/mol. Its IUPAC name is N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
PubChem CID119550223
Molecular FormulaC17H29Cl2N5O
Molecular Weight390.36 g/mol
Exact Mass389.17
IUPAC NameN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCN(C(=O)CCN1CCN(c2ccccn2)CC1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H27N5O.2ClH/c1-20(15-5-8-18-14-15)17(23)6-9-21-10-12-22(13-11-21)16-4-2-3-7-19-16;;/h2-4,7,15,18H,5-6,8-14H2,1H3;2*1H
InChIKeyNGKFAJMVSZHESK-UHFFFAOYSA-N
XLogP1.26
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-N-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119823231
N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119554014
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119532295
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120659139
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 120947300
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
3-(2-ethylimidazol-1-yl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124939708
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The IUPAC name of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride (CID 119550223) is N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride is CN(C(=O)CCN1CCN(c2ccccn2)CC1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The InChIKey is NGKFAJMVSZHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.2ClH/c1-20(15-5-8-18-14-15)17(23)6-9-21-10-12-22(13-11-21)16-4-2-3-7-19-16;;/h2-4,7,15,18H,5-6,8-14H2,1H3;2*1H.
What are the key properties of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119550223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).